N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide

C17H15BrF2N2O2 — CID 51182017

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
SMILESO=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C17H15BrF2N2O2/c18-11-1-4-16(22-5-7-24-8-6-22)15(9-11)21-17(23)13-3-2-12(19)10-14(13)20/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyHKEFPGHKRVPOLU-UHFFFAOYSA-N
MW397.22 g/mol
LogP3.82
Rot. Bonds3

About N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide (PubChem CID 51182017) has the molecular formula C17H15BrF2N2O2 and a molecular weight of 397.22 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
PubChem CID51182017
Molecular FormulaC17H15BrF2N2O2
Molecular Weight397.22 g/mol
Exact Mass396.03
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
SMILESO=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C17H15BrF2N2O2/c18-11-1-4-16(22-5-7-24-8-6-22)15(9-11)21-17(23)13-3-2-12(19)10-14(13)20/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyHKEFPGHKRVPOLU-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092689
5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 60566996
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743
2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3951129
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
CID 55394956
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide (CID 51182017) is N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide is O=C(Nc1cc(Br)ccc1N1CCOCC1)c1ccc(F)cc1F.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide?
The InChIKey is HKEFPGHKRVPOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O2/c18-11-1-4-16(22-5-7-24-8-6-22)15(9-11)21-17(23)13-3-2-12(19)10-14(13)20/h1-4,9-10H,5-8H2,(H,21,23).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide has a molecular weight of 397.22 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 51182017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).